▹ Formula | ▴ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Te2Ir | COD | 1526496 | Pa3 (205) | ✔ | 12 | 116 | 3 | 0.0 | 0.000 | 0.686 | (1;111) | ✗ | 02/02/17 |
LiSn4Ir | COD | 1529009 | I4/mcm (140) | ✔ | 12 | 152 | 3 | 0.0 | 0.020 | 0.279 | (0;000) | ✗ | 02/02/17 |
BRh2 | COD | 2310098 | Pnma (62) | ✔ | 12 | 148 | 3 | 0.0 | 0.001 | 0.753 | (1;011) | ✗ | 27/01/17 |
InSe | COD | 9008967 | P6_3/mmc (194) | ✔ | 8 | 76 | 2 | 0.0 | 0.119 | 0.074 | (1;000) | ✗ | 02/02/17 |
PbBrF | COD | 9009175 | P4/nmm (129) | ✔ | 6 | 56 | 2 | 2.2754 | 2.275 | 0.000 | (0;000) | ✗ | 27/01/17 |
Re3B | COD | 1511311 | Cmcm (63) | ✔ | 8 | 96 | 3 | 0.0 | 0.008 | 0.656 | (1;000) | ✗ | 27/01/17 |
CuBr | COD | 9013931 | P4/nmm (129) | ✔ | 4 | 36 | 2 | 0.7515 | 0.752 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr2CuBrO2 | COD | 2002429 | R-3m (166) | ✔ | 6 | 50 | 1 | 2.4164 | 2.627 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsBr | COD | 9008788 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 4.492 | 4.492 | 0.000 | (0;000) | ✗ | 27/01/17 |
KInTe2 | COD | 2001367 | I4/mcm (140) | ✔ | 8 | 68 | 1 | 0.9234 | 1.267 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaIO3 | COD | 1530853 | Pnma (62) | ✔ | 20 | 136 | 1 | 3.7298 | 3.969 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaHBr | COD | 9009166 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 3.6383 | 4.028 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr(InP)2 | COD | 2017324 | P6_3/mmc (194) | ✔ | 10 | 92 | 2 | 0.3909 | 0.391 | 0.000 | (0;000) | ✗ | 02/02/17 |
Mg(InS2)2 | COD | 9012321 | Fd-3m (227) | ✔ | 14 | 120 | 3 | 1.9394 | 1.939 | 0.000 | (0;000) | ✗ | 02/02/17 |
MnSbSe2I | COD | 2013470 | C2/m (12) | ✔ | 10 | 78 | 3 | 0.0 | 0.006 | 0.343 | (1;111) | ✗ | 02/02/17 |
InTeI | COD | 1525202 | P2_1/c (14) | ✔ | 12 | 104 | 2 | 1.3786 | 1.379 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li6Br3N | COD | 1528848 | Fm-3m (225) | ✔ | 10 | 44 | 1 | 2.9029 | 3.244 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb2PdI6 | COD | 1526585 | Fm-3m (225) | ✔ | 9 | 78 | 1 | 0.0 | 0.222 | 0.082 | (0;000) | ✗ | 02/02/17 |
CsHgBr3 | COD | 1010118 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.0 | 0.000 | 0.157 | (1;000) | ✗ | 27/01/17 |
SiI3 | COD | 2019712 | R-3 (148) | ✔ | 8 | 50 | 1 | 2.7095 | 2.751 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsCdBr3 | COD | 1010122 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.8231 | 1.294 | 0.000 | (0;000) | ✗ | 27/01/17 |
I3N | COD | 9014796 | Pnma (62) | ✔ | 16 | 104 | 1 | 0.0 | 0.005 | 0.530 | (0;000) | ✗ | 02/02/17 |
ZnBr2 | COD | 9011540 | R-3m (166) | ✔ | 3 | 26 | 2 | 2.4418 | 2.445 | 0.000 | (0;000) | ✗ | 27/01/17 |
TaI2O | COD | 2004011 | C2/m (12) | ✔ | 8 | 66 | 2 | 0.7657 | 0.861 | 0.000 | (0;000) | ✗ | 02/02/17 |
NiBr2 | COD | 9008013 | R-3m (166) | ✔ | 3 | 24 | 2 | 0.0 | 0.031 | 0.538 | (0;000) | ✗ | 27/01/17 |
Y6NiI10 | COD | 2239531 | P-1 (2) | ✔ | 17 | 146 | 3 | 0.3842 | 0.497 | 0.000 | (0;000) | ✗ | 02/02/17 |
MgBr2 | COD | 9009107 | P-3m1 (164) | ✔ | 3 | 24 | 2 | 4.1115 | 4.112 | 0.000 | (0;000) | ✗ | 27/01/17 |
In2HgS4 | COD | 9012324 | Fd-3m (227) | ✔ | 14 | 124 | 3 | 0.6681 | 0.867 | 0.000 | (0;000) | ✗ | 02/02/17 |
K4Br2O | COD | 9007797 | Fmmm (69) | ✔ | 7 | 56 | 1 | 0.7286 | 0.729 | 0.000 | (0;000) | ✗ | 27/01/17 |
HgBr2 | COD | 9009213 | Cmcm (63) | ✔ | 12 | 104 | 3 | 0.0 | 0.025 | 0.460 | (0;110) | ✗ | 27/01/17 |
FeBr2 | COD | 9009102 | P-3m1 (164) | ✔ | 3 | 22 | 2 | 0.3824 | 0.406 | 0.000 | (0;000) | ✗ | 27/01/17 |
Mn2Hg5 | COD | 2310198 | P4/mbm (127) | ✔ | 14 | 180 | 3 | 0.0 | 0.003 | 0.635 | (1;001) | ✗ | 02/02/17 |
CdBr2 | COD | 9009124 | R-3m (166) | ✔ | 3 | 26 | 2 | 2.7703 | 2.910 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaBr2 | COD | 4031227 | Pnnm (58) | ✔ | 6 | 48 | 1 | 4.4868 | 4.487 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca3SiBr2 | COD | 1521784 | R-3m (166) | ✔ | 6 | 48 | 1 | 0.0 | 0.001 | 0.479 | (0;000) | ✗ | 27/01/17 |
Ca3SiBr2 | COD | 1521783 | P-3m1 (164) | ✔ | 6 | 48 | 1 | 0.0 | 0.005 | 0.399 | (0;000) | ✗ | 27/01/17 |
Ca3SiBr2 | COD | 1521782 | Immm (71) | ✔ | 6 | 48 | 1 | 0.0 | 0.012 | 0.022 | (1;000) | ✗ | 27/01/17 |
Ca3SiBr2 | COD | 1521781 | I4/mmm (139) | ✔ | 6 | 48 | 1 | 0.0 | 0.005 | 0.315 | (0;111) | ✗ | 27/01/17 |
Na3Hg2 | COD | 2310237 | P4_2/mnm (136) | ✔ | 20 | 204 | 3 | 0.0 | 0.013 | 0.574 | (0;000) | ✗ | 02/02/17 |
BPd3 | COD | 1511295 | Pnma (62) | ✔ | 16 | 228 | 3 | 0.0 | 0.000 | 0.634 | (1;110) | ✗ | 27/01/17 |
BPd2 | COD | 1511294 | Pnnm (58) | ✔ | 6 | 78 | 3 | 0.0 | 0.000 | 0.880 | (1;010) | ✗ | 27/01/17 |
Sc3BPb | COD | 1511293 | Pm-3m (221) | ✔ | 5 | 50 | 3 | 0.0 | 0.000 | 0.106 | (1;000) | ✗ | 27/01/17 |
B | COD | 1512492 | R-3m (166) | ✔ | 12 | 36 | 3 | 1.4362 | 1.829 | 0.000 | (0;000) | ✗ | 27/01/17 |
TaBO4 | COD | 1511288 | I4_1/amd (141) | ✔ | 12 | 80 | 3 | 3.5135 | 3.581 | 0.000 | (0;000) | ✗ | 27/01/17 |
VBO3 | COD | 7209472 | R-3c (167) | ✔ | 10 | 68 | 3 | 0.0 | 0.007 | 0.763 | (0;000) | ✗ | 27/01/17 |
TiBO3 | COD | 8103469 | R-3c (167) | ✔ | 10 | 66 | 3 | 0.0 | 0.000 | 0.815 | (0;000) | ✗ | 27/01/17 |
ScBO3 | COD | 2018876 | R-3c (167) | ✔ | 10 | 64 | 3 | 4.2967 | 4.297 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr2Ge | COD | 1520914 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.3586 | 0.359 | 0.000 | (0;000) | ✗ | 02/02/17 |
CdCN2 | COD | 7222161 | R-3m (166) | ✔ | 4 | 26 | 3 | 2.4076 | 2.566 | 0.000 | (0;000) | ✗ | 27/01/17 |
YNi4B | COD | 8000084 | P6/mmm (191) | ✔ | 12 | 108 | 3 | 0.0 | 0.007 | 0.649 | (0;000) | ✗ | 27/01/17 |
SnGeS3 | COD | 9005509 | P2_1/c (14) | ✔ | 20 | 144 | 3 | 1.3882 | 1.610 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ni2B | COD | 1511265 | I4/mcm (140) | ✔ | 6 | 46 | 3 | 0.0 | 0.001 | 0.828 | (0;111) | ✗ | 27/01/17 |
NbB | COD | 1511254 | Cmcm (63) | ✔ | 4 | 32 | 3 | 0.0 | 0.024 | 0.365 | (1;000) | ✗ | 27/01/17 |
NbBO4 | COD | 9012847 | I4_1/amd (141) | ✔ | 12 | 80 | 3 | 2.8207 | 2.846 | 0.000 | (0;000) | ✗ | 27/01/17 |
NbNiB | COD | 1511255 | Cmcm (63) | ✔ | 6 | 52 | 3 | 0.0 | 0.011 | 0.215 | (1;110) | ✗ | 27/01/17 |
NaBPt3 | COD | 1511249 | P6/mmm (191) | ✔ | 10 | 84 | 3 | 0.0 | 0.039 | 0.685 | (1;000) | ✗ | 27/01/17 |
LiGe | COD | 4030886 | I4_1/a (88) | ✔ | 16 | 56 | 3 | 0.0 | 0.099 | 0.259 | (1;111) | ✗ | 02/02/17 |
BMo | COD | 9008953 | I4_1/amd (141) | ✔ | 8 | 68 | 3 | 0.0 | 0.032 | 0.690 | (1;111) | ✗ | 27/01/17 |
CdCO3 | COD | 1011341 | R-3m (166) | ✔ | 5 | 34 | 3 | 0.0 | 0.008 | 0.815 | (0;111) | ✗ | 27/01/17 |
BMo2 | COD | 1511240 | I4/mcm (140) | ✔ | 6 | 62 | 3 | 0.0 | 0.000 | 0.653 | (1;000) | ✗ | 27/01/17 |
MnB | COD | 1511236 | Pnma (62) | ✔ | 8 | 72 | 3 | 0.0 | 0.010 | 0.591 | (1;000) | ✗ | 27/01/17 |
Mn2B | COD | 1511237 | I4/mcm (140) | ✔ | 6 | 66 | 3 | 0.0 | 0.000 | 0.530 | (1;111) | ✗ | 27/01/17 |
NaMgBO3 | COD | 4307923 | C2/c (15) | ✔ | 12 | 80 | 3 | 3.7545 | 3.755 | 0.000 | (0;000) | ✗ | 27/01/17 |
Mg3BN3 | COD | 2100976 | Pmmm (47) | ✔ | 7 | 48 | 3 | 0.0 | 0.006 | 0.131 | (1;000) | ✗ | 27/01/17 |
Mg3BN3 | COD | 1511235 | P6_3/mmc (194) | ✔ | 14 | 96 | 3 | 1.5131 | 1.513 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiBO2 | COD | 2310701 | P2_1/c (14) | ✔ | 16 | 72 | 1 | 5.6407 | 5.641 | 0.000 | (0;000) | ✗ | 27/01/17 |
Nb5GaSn2 | COD | 2020043 | I4/mcm (140) | ✔ | 16 | 212 | 3 | 0.0 | 0.001 | 0.541 | (1;000) | ✗ | 02/02/17 |
Li3BN2 | COD | 1511227 | P4_2/mnm (136) | ✔ | 12 | 44 | 1 | 3.4812 | 4.061 | 0.000 | (0;000) | ✗ | 27/01/17 |
Fe2B | COD | 1010474 | I4/mcm (140) | ✔ | 6 | 38 | 3 | 0.0 | 0.000 | 0.524 | (1;001) | ✗ | 27/01/17 |
MgGa | COD | 1522869 | I4_1/a (88) | ✔ | 16 | 184 | 1 | 0.0 | 0.002 | 0.338 | (1;111) | ✗ | 02/02/17 |
LiGa(SiO3)2 | COD | 9013865 | C2/c (15) | ✔ | 20 | 120 | 3 | 4.7408 | 4.877 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbGa7 | COD | 2106106 | R-3m (166) | ✔ | 16 | 200 | 3 | 0.0 | 0.011 | 0.408 | (1;111) | ✗ | 02/02/17 |
YGa6 | COD | 1523759 | P4/nbm (125) | ✔ | 14 | 178 | 3 | 0.0 | 0.000 | 0.695 | (1;000) | ✗ | 02/02/17 |
Ga5Pd | COD | 1522867 | I4/mcm (140) | ✔ | 12 | 166 | 3 | 0.0 | 0.001 | 0.517 | (1;000) | ✗ | 02/02/17 |
TlBiTe2 | COD | 2310403 | R-3m (166) | ✔ | 4 | 40 | 3 | 0.0 | 0.197 | 0.022 | (0;000) | ✗ | 05/01/17 |
Ta5Ga3 | COD | 1522719 | P6_3/mcm (193) | ✔ | 16 | 208 | 3 | 0.0 | 0.002 | 0.935 | (0;000) | ✗ | 02/02/17 |
TlBiS2 | COD | 2209681 | R-3m (166) | ✔ | 4 | 40 | 2 | 0.0991 | 0.099 | 0.000 | (1;000) | ✗ | 05/01/17 |
LiBIr | COD | 1511190 | Fddd (70) | ✔ | 12 | 92 | 3 | 0.0 | 0.038 | 0.253 | (1;111) | ✗ | 05/01/17 |
BiRh | COD | 9008914 | P6_3/mmc (194) | ✔ | 4 | 64 | 3 | 0.0 | 0.008 | 0.572 | (0;000) | ✗ | 05/01/17 |
Hf3Nb2Ga3 | COD | 1523236 | P6_3/mcm (193) | ✔ | 16 | 202 | 3 | 0.0 | 0.000 | 0.460 | (1;000) | ✗ | 02/02/17 |
Mg(ScGa)2 | COD | 2016995 | P4/mbm (127) | ✔ | 10 | 116 | 3 | 0.0 | 0.007 | 0.746 | (0;001) | ✗ | 02/02/17 |
BiPt | COD | 9008911 | P6_3/mmc (194) | ✔ | 4 | 50 | 3 | 0.0 | 0.000 | 0.879 | (1;000) | ✗ | 05/01/17 |
BiPd | COD | 9004224 | P6_3/mmc (194) | ✔ | 4 | 66 | 3 | 0.0 | 0.000 | 0.833 | (1;000) | ✗ | 05/01/17 |
TcO3F | COD | 4339756 | P2_1/c (14) | ✔ | 20 | 160 | 2 | 5.8584 | 0.037 | 1.000 | (0;000) | ✗ | 02/02/17 |
Bi | COD | 9012006 | P6_3/mmc (194) | ✔ | 2 | 30 | 1 | 0.0 | 0.000 | 0.565 | (1;000) | ✗ | 05/01/17 |
Bi | COD | 8100521 | C2/m (12) | ✔ | 2 | 30 | 3 | 0.0 | 0.042 | 0.657 | (0;001) | ✗ | 05/01/17 |
VBiO4 | COD | 9012062 | I4_1/a (88) | ✔ | 12 | 104 | 3 | 2.1086 | 2.165 | 0.000 | (0;000) | ✗ | 05/01/17 |
VBiO4 | COD | 9011741 | I4_1/amd (141) | ✔ | 12 | 104 | 3 | 2.5386 | 2.543 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ti4FeS8 | COD | 9012119 | C2/m (12) | ✔ | 13 | 104 | 3 | 0.0 | 0.016 | 0.502 | (0;001) | ✗ | 02/02/17 |
ReBiO4 | COD | 1522924 | Cmcm (63) | ✔ | 12 | 108 | 3 | 0.0 | 0.030 | 0.756 | (0;000) | ✗ | 05/01/17 |
BiPO4 | COD | 7023720 | P2_1/m (11) | ✔ | 12 | 88 | 3 | 3.4763 | 3.555 | 0.000 | (0;000) | ✗ | 05/01/17 |
TlFeO3 | COD | 1526633 | Pnma (62) | ✔ | 20 | 156 | 3 | 0.0 | 0.001 | 0.687 | (0;110) | ✗ | 02/02/17 |
SrBiO3 | COD | 2000656 | Cmcm (63) | ✔ | 10 | 86 | 1 | 0.0 | 0.000 | 0.951 | (1;110) | ✗ | 05/01/17 |
FeSiO3 | COD | 9000917 | C2/c (15) | ✔ | 20 | 120 | 3 | 0.0 | 0.038 | 0.102 | (0;000) | ✗ | 02/02/17 |
BiO2 | COD | 9009765 | C2/c (15) | ✔ | 12 | 108 | 3 | 1.529 | 1.615 | 0.000 | (0;000) | ✗ | 05/01/17 |
InBO6 | COD | 5910089 | R-3m (166) | ✔ | 8 | 52 | 3 | 0.0 | 0.007 | 0.415 | (0;000) | ✗ | 05/01/17 |
InBO3 | COD | 2010257 | R-3c (167) | ✔ | 10 | 68 | 3 | 3.0882 | 3.509 | 0.000 | (0;000) | ✗ | 05/01/17 |
Na4FeO4 | COD | 1522158 | P-1 (2) | ✔ | 18 | 136 | 1 | 0.0547 | 0.089 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaBiO3 | COD | 1526788 | R-3 (148) | ✔ | 10 | 84 | 1 | 1.4476 | 1.542 | 0.000 | (0;000) | ✗ | 05/01/17 |
NaBiO2 | COD | 8103708 | C2/c (15) | ✔ | 8 | 72 | 3 | 1.311 | 1.317 | 0.000 | (0;000) | ✗ | 05/01/17 |